Structure Info
- Chemspace ID
- CSCS00010587597 (Synthesis)
- MFCD
- MFCD24642580
- IUPAC Name
- propyl 2-amino-5-cyano-3-methylbenzoate
- Mol formula
- C12H14N2O2
- Mol weight
- 218 Da
- Catalog Number(s)
- BBV-45405146, CSC010587597, FCH1958751
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.05
- Heavy atoms count
- 16
- Rotatable bond count
- 4
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.333
- Polar surface area (Å)
- 76
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSCS00010587597
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